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Methanethiol

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Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to CH4S+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)9.439 ± 0.005eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)773.4kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity742.kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Deltaf(+) ion889. ± 8.kJ/molN/AN/A 
Quantity Value Units Method Reference Comment
DeltafH(+) ion,0K898. ± 8.kJ/molN/AN/A 

Ionization energy determinations

IE (eV) Method Reference Comment
9.446 ± 0.010PINourbakhsh, Norwood, et al., 1991LL
9.4386PIKutina, Edwards, et al., 1982T = 0K; LBLHLM
9.46PEKimura, Katsumata, et al., 1981LLK
9.44PEOgata, Onizuka, et al., 1973LLK
9.44PEOgata, Onizuka, et al., 1972LLK
9.415PEKroto and Suffolk, 1972LLK
9.42PEFrost, Herring, et al., 1972LLK
9.44 ± 0.01PIAkopyan, Sergeev, et al., 1970RDSH
9.440 ± 0.005PIWatanabe, Nakayama, et al., 1962RDSH
9.443 ± 0.002SPrice, Teegan, et al., 1950RDSH
9.44PECradock and Whiteford, 1972Vertical value; LLK
9.44PEBock, Wagner, et al., 1972Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CHS+<=13.55 ± 0.04H+H2PIKutina, Edwards, et al., 1982LBLHLM
CHS+<=13.61 ± 0.04H+H2PIKutina, Edwards, et al., 1982T = 0K; LBLHLM
CHS+15.8 ± 0.5?EIRuska and Franklin, 1969RDSH
CH2S+10.58 ± 0.05H2PINourbakhsh, Norwood, et al., 1991LL
CH2S+10.61 ± 0.05H2PIKutina, Edwards, et al., 1982T = 0K; LBLHLM
CH2S+10.55 ± 0.05H2PIKutina, Edwards, et al., 1982LBLHLM
CH2S+10.8 ± 0.1H2PIAkopyan, Sergeev, et al., 1970RDSH
CH2S+[HCSH+]~11.51H2PIKutina, Edwards, et al., 1982LBLHLM
CH2S+[HCSH+]~11.57H2PIKutina, Edwards, et al., 1982T = 0K; LBLHLM
CH3+13.296 ± 0.021SHPIKutina, Edwards, et al., 1982LBLHLM
CH3+13.357 ± 0.021SHPIKutina, Edwards, et al., 1982T = 0K; LBLHLM
CH3S+11.23 ± 0.05HPINourbakhsh, Norwood, et al., 1991LL
CH3S+11.48 ± 0.05HEIHolmes, Lossing, et al., 1983LBLHLM
CH3S+11.550 ± 0.005HPIKutina, Edwards, et al., 1982LBLHLM
CH3S+11.611 ± 0.005HPIKutina, Edwards, et al., 1982T = 0K; LBLHLM
CH3S+11.37 ± 0.05HPIAkopyan, Sergeev, et al., 1970RDSH
CH3S+11.6 ± 0.1HEITaft, Martin, et al., 1965RDSH

De-protonation reactions

MeS anion + Hydrogen cation = Methanethiol

By formula: CH3S- + H+ = CH4S

Quantity Value Units Method Reference Comment
Deltar1496. ± 8.4kJ/molD-EASchwartz, Davico, et al., 2000gas phase; B
Deltar1496. ± 8.4kJ/molD-EAMoran and Ellison, 1988gas phase; B
Deltar1493. ± 9.2kJ/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Deltar1467. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B

CH3S- + Hydrogen cation = Methanethiol

By formula: CH3S- + H+ = CH4S

Quantity Value Units Method Reference Comment
Deltar1654. ± 11.kJ/molG+TSKass, Guo, et al., 1990gas phase; Acidity between D2O and Me2NH.; B
Deltar1638. ± 32.kJ/molD-EAKass, Guo, et al., 1990gas phase; Between O2 and SO2. Explains bad anchor in McIver Jr. and Fukuda, 1982; B
Quantity Value Units Method Reference Comment
Deltar1624. ± 10.kJ/molIMRBKass, Guo, et al., 1990gas phase; Acidity between D2O and Me2NH.; B

References

Go To: Top, Gas phase ion energetics data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Nourbakhsh, Norwood, et al., 1991
Nourbakhsh, S.; Norwood, K.; Yin, H.-M.; Liao, C.-L.; Ng, C.Y., Vacuum ultraviolet photodissociation and photoionization studies of CH3SH and SH, J. Chem. Phys., 1991, 95, 946. [all data]

Kutina, Edwards, et al., 1982
Kutina, R.; Edwards, A.; Goodman, G.; Berkowitz, J., Photoionization mass spectrometry of CH3SH, CD3SH, and CH3SD: Heats of formation of CH3S+ (CH2SH+), CH2S+, CH2S, and HCS+, J. Chem. Phys., 1982, 77, 5508. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

Ogata, Onizuka, et al., 1973
Ogata, H.; Onizuka, H.; Nihei, Y.; Kamada, H., The photoelectron spectra of alcohols, mercaptans and amines, Bull. Chem. Soc. Jpn., 1973, 46, 3036. [all data]

Ogata, Onizuka, et al., 1972
Ogata, H.; Onizuka, H.; Nihei, Y.; Kamada, H., On the first bands of the photoelectron spectra of amines, alcohols, and mercaptans, Chem. Lett., 1972, 895. [all data]

Kroto and Suffolk, 1972
Kroto, H.W.; Suffolk, R.J., The photoelectron spectrum of an unstable species in the pyrolysis products of dimethyldisulphide, Chem. Phys. Lett., 1972, 15, 545. [all data]

Frost, Herring, et al., 1972
Frost, D.C.; Herring, F.G.; Katrib, A.; McDowell, C.A.; McLean, R.A.N., Photoelectron spectra of CH3SH, (CH3)2S, C6H5SH, and C6H5CH2SH; the bonding between sulfur and carbon, J. Phys. Chem., 1972, 76, 1030. [all data]

Akopyan, Sergeev, et al., 1970
Akopyan, M.E.; Sergeev, Yu.L.; Vilesov, F.I., Photionization in vapors of aliphatic sulfides. I. Methymercaptan, dimethyl and diethyl sulfides, High Energy Chem., 1970, 4, 265, In original 305. [all data]

Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]

Price, Teegan, et al., 1950
Price, W.C.; Teegan, J.P.; Walsh, A.D., The far ultra-violet absorption spectra of the hydrides and deuterides of sulphur, selenium and tellurium and of the methyl derivatives of hydrogen sulphide, Proc. Roy. Soc. (London), 1950, A201, 600. [all data]

Cradock and Whiteford, 1972
Cradock, S.; Whiteford, R.A., Photoelectron spectra of the methyl, silyl and germyl derivatives of the group VI elements, J. Chem. Soc. Faraday Trans. 2, 1972, 68, 281. [all data]

Bock, Wagner, et al., 1972
Bock, H.; Wagner, G.; Kroner, J., Photoelektronenspektren und molekuleigenschaften, XIV. Die delokalisation des schwefel-elektronenpaar in CH3S-substituierten aromaten, Chem. Ber., 1972, 105, 3850. [all data]

Ruska and Franklin, 1969
Ruska, W.E.W.; Franklin, J.L., Ion-molecule reactions in hydrogen sulfide, methanethiol and 2-thiapropane, Intern. J. Mass Spectrom. Ion Phys., 1969, 3, 221. [all data]

Holmes, Lossing, et al., 1983
Holmes, J.L.; Lossing, F.P.; Terlouw, J.K.; Burgers, P.C., Novel gas-phase ions. The radical cations [CH2XH]+. (X = F, Cl, Br, I, OH, NH2, SH) and [CH2CH2NH3]+., Can. J. Chem., 1983, 61, 2305. [all data]

Taft, Martin, et al., 1965
Taft, R.W.; Martin, R.H.; Lampe, F.W., Stabilization energies of substituted methyl cations. The effect of strong demand on the resonance order, J. Am. Chem. Soc., 1965, 87, 2490. [all data]

Schwartz, Davico, et al., 2000
Schwartz, R.L.; Davico, G.E.; Lineberger, W.C., Negative-ion photoelectron spectroscopy of CH3S-, J. Electron Spectros. Rel. Phenom., 2000, 108, 1-3, 163-168, https://doi.org/10.1016/S0368-2048(00)00125-0 . [all data]

Moran and Ellison, 1988
Moran, S.; Ellison, G.B., Photoelectron Spectroscopy of Sulfur Ions, J. Phys. Chem., 1988, 92, 7, 1794, https://doi.org/10.1021/j100318a021 . [all data]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]

Kass, Guo, et al., 1990
Kass, S.R.; Guo, H.-Z.; Dahlke, G.D., The Thiomethyl Anion: Formation, Reactivity, and Thermodynamic Properties, J. Am. Soc. Mass Spectrom., 1990, 1, 5, 366, https://doi.org/10.1016/1044-0305(90)85016-F . [all data]

McIver Jr. and Fukuda, 1982
McIver Jr.; Fukuda, E.K., Equilibrium Electron Affinities, Lec. Notes in Chem., 1982, 31, 165. [all data]


Notes

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